Information card for entry 1574640

Structure parameters

• Formula: C6 H14 Br3 Mn N O
• Calculated formula: C6 H14 Br3 Mn N O
• Title of publication: A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides
• Authors of publication: Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 11012 - 11020
• a: 7.7824 ± 0.0004 Å
• b: 8.0325 ± 0.0004 Å
• c: 19.5413 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1221.57 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No